SCHEMBL31218445

SCHEMBL31218445

Cc1cc2sc(Br)nc2c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CHRM4 P08173 1/20 0.31
NSD1 Q96L73 1/20 0.31
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28386183 1.00 HSD17B10 (0.36) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL15985836 0.81 MAPT (0.45) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL20582165 0.78 HSD17B10 (0.61) HSD17B10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18281921 0.78 ALDH1A1 (0.40) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL31218402 0.78 HSD17B10 (0.61) HSD17B10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9032146 0.75 HSD17B10 (0.44) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL15982388 0.75 MAPT (0.33) HSD17B10MAPTKDM4E
SCHEMBL28384381 0.71 MAPT (0.40) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL21683098 0.71 HSD17B10 (0.44) HSD17B10MAPTKDM4ENPC1RAB9A
SCHEMBL18281990 0.70 KDM4E (0.35) HSD17B10MAPTKDM4ENPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed